← сравнение complex #627 3D Viewer

Complex #627 — Ru(2)

GT: {"N": 3} · Δ = -0.67
{"N": 3}
Ground Truth
0.667
Single-lig
0.000
Sequential
-0.667
Δ Sequential
Single-ligand (v1) — 144 candidates
Pred: {"S": 1, "N": 1}
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
Sequential multi-lig (v2) — 144 candidates
Pred: {"S": 2, "N": 2}
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#2 C/C(c1ccc(Br)s1)=[N]1\NC(=[S]->[Ru+2]<-1)N(C)C 0.949
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#3 C/C(=N\NC(=[S]->[Ru+2])N(C)C)c1ccc(Br)s1 0.423
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.063
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[N](C)(C)->[Ru+2])c1ccc(Br)s1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#8 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#10 C/C(c1ccc(Br)s1)=[N](->[Ru+2])\NC(=S)N(C)C 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 C/C(=N\NC(=S)N(C)C)c1ccc(Br)[s]1->[Ru+2] 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 C/C(=N\NC(=S)N(C)C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 C/C(=N\NC(=S)N(C)C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 C/C(=N\NC(=S)N(C)C)c1sc(Br)c[cH]1->[Ru+2] 0.000